Allyl Formate

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  • Identifiers

    CAS number
    1838-59-1

    Molecular formula
    C4H6O2

    SMILES
    C=CCOC=O

  • Odor profile

    Fragrance
    Fruity 94.44%
    Ethereal 75.91%
    Pungent 65.51%
    Sharp 56.23%
    Rummy 50.48%
    Green 43.28%
    Fresh 40.63%
    Winey 38.52%
    Apple 36.59%
    Alliaceous 34.28%

     

    Flavor
    Pungent 54.72%
    Ethereal 44.85%
    Fruity 44.0%
    Green 41.06%
    Bitter 29.67%
    Rum 27.82%
    Almond 25.98%
    Sharp 25.17%
    Floral 23.54%
    Sweet 21.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.16 (neutral)

    Molecular weight
    86.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    80°C

    Flash point

    • 7.41 ˚C est.

  • Synonyms

    • ALLYL FORMATE
    • 1838-59-1
    • Formic acid, 2-propenyl ester
    • Formic acid, allyl ester
    • prop-2-enyl formate
    • Allylester kyseliny mravenci
    • NSC 4735
    • Allylester kyseliny mravenci [Czech]
    • EINECS 217-413-9
    • A9WY6Q0U9C
    • UN2336
    • BRN 1735668
    • AI3-24238
    • Formic acid, 2-propen-1-yl ester
    • NSC-4735
    • ALLYL ALCOHOL, FORMATE
    • DTXSID4062016
    • 3-02-00-00046 (Beilstein Handbook Reference)
    • 2-PROPENYL ESTER FORMIC ACID
    • UNII-A9WY6Q0U9C
    • Allylformiat
    • Formiate d'allyle
    • Formiato de alilo
    • 2-propenyl formate
    • prop-2-en-1-yl formate
    • WLN: VHO2U1
    • Formic acid, 2propenyl ester
    • Formic acid, 2propen1yl ester
    • CHEMBL1697703
    • DTXCID8035843
    • 2-Propenyl ester of formic acid
    • Formiate d'allyle (French DOT)
    • ZHHZHHSFKCANOC-UHFFFAOYSA-
    • Formiato de alilo (Spanish DOT)
    • Formic acid, allyl ester (8CI)
    • NSC4735
    • STL280329
    • AKOS006275649
    • UN 2336
    • DB-044508
    • NS00045729
    • Allyl formate [UN2336] [Flammable liquid]
    • Q12784331
    • InChI=1/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
    • 217-413-9

  • Applications

    Allyl formate is primarily used as an intermediate in organic synthesis, enabling the introduction of allyl formate functionality into more complex molecules and serving as a precursor for formate-containing esters in pharmaceutical and agrochemical syntheses. It also serves as a reactive feedstock in polymer and coating chemistries, particularly in resin systems and adhesives where the allyl group allows crosslinking, and can function as a solvent or processing medium in certain steps. Additionally, it is used to prepare other formate esters and related derivatives, and may be employed as a reactive diluent in coatings and inks depending on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 503.2
    methanol 951.35
    isopropanol 247.15
    water 16.5
    ethyl acetate 195.09
    n-propanol 265.69
    acetone 356.57
    n-butanol 218.05
    acetonitrile 311.72
    DMF 768.91
    toluene 45.54
    isobutanol 142.1
    1,4-dioxane 307.48
    methyl acetate 244.09
    THF 325.01
    2-butanone 209.81
    n-pentanol 144.33
    sec-butanol 170.78
    n-hexane 13.64
    ethylene glycol 226.41
    NMP 386.13
    cyclohexane 20.16
    DMSO 628.71
    n-butyl acetate 147.76
    n-octanol 72.69
    chloroform 202.2
    n-propyl acetate 124.96
    acetic acid 647.85
    dichloromethane 258.22
    cyclohexanone 195.07
    propylene glycol 154.22
    isopropyl acetate 85.95
    DMAc 437.84
    2-ethoxyethanol 299.47
    isopentanol 141.47
    n-heptane 16.56
    ethyl formate 188.67
    1,2-dichloroethane 189.39
    n-hexanol 139.73
    2-methoxyethanol 602.79
    isobutyl acetate 69.18
    tetrachloromethane 38.82
    n-pentyl acetate 71.9
    transcutol 768.03
    n-heptanol 55.79
    ethylbenzene 33.34
    MIBK 81.82
    2-propoxyethanol 263.57
    tert-butanol 252.45
    MTBE 143.85
    2-butoxyethanol 130.48
    propionic acid 254.51
    o-xylene 45.81
    formic acid 431.67
    diethyl ether 159.33
    m-xylene 37.24
    p-xylene 42.66
    chlorobenzene 78.69
    dimethyl carbonate 84.38
    n-octane 6.73
    formamide 414.93
    cyclopentanone 237.73
    2-pentanone 154.32
    anisole 103.57
    cyclopentyl methyl ether 124.85
    gamma-butyrolactone 298.03
    1-methoxy-2-propanol 306.25
    pyridine 210.68
    3-pentanone 105.59
    furfural 317.43
    n-dodecane 7.09
    diethylene glycol 296.97
    diisopropyl ether 37.79
    tert-amyl alcohol 192.08
    acetylacetone 162.21
    n-hexadecane 7.8
    acetophenone 104.2
    methyl propionate 152.66
    isopentyl acetate 115.73
    trichloroethylene 324.05
    n-nonanol 61.8
    cyclohexanol 129.09
    benzyl alcohol 102.44
    2-ethylhexanol 79.97
    isooctanol 45.67
    dipropyl ether 86.25
    1,2-dichlorobenzene 80.24
    ethyl lactate 82.35
    propylene carbonate 154.92
    n-methylformamide 422.12
    2-pentanol 114.81
    n-pentane 16.76
    1-propoxy-2-propanol 175.38
    1-methoxy-2-propyl acetate 128.36
    2-(2-methoxypropoxy) propanol 169.73
    mesitylene 28.78
    ε-caprolactone 173.25
    p-cymene 35.14
    epichlorohydrin 272.93
    1,1,1-trichloroethane 121.51
    2-aminoethanol 286.55
    morpholine-4-carbaldehyde 412.33
    sulfolane 299.81
    2,2,4-trimethylpentane 10.88
    2-methyltetrahydrofuran 210.79
    n-hexyl acetate 112.81
    isooctane 8.16
    2-(2-butoxyethoxy)ethanol 227.57
    sec-butyl acetate 71.86
    tert-butyl acetate 95.55
    decalin 12.91
    glycerin 225.36
    diglyme 382.8
    acrylic acid 270.25
    isopropyl myristate 47.01
    n-butyric acid 262.92
    acetyl acetate 120.02
    di(2-ethylhexyl) phthalate 57.43
    ethyl propionate 97.8
    nitromethane 715.84
    1,2-diethoxyethane 181.91
    benzonitrile 114.42
    trioctyl phosphate 40.54
    1-bromopropane 101.01
    gamma-valerolactone 313.53
    n-decanol 47.07
    triethyl phosphate 52.25
    4-methyl-2-pentanol 59.4
    propionitrile 194.21
    vinylene carbonate 158.61
    1,1,2-trichlorotrifluoroethane 280.69
    DMS 107.45
    cumene 28.92
    2-octanol 38.96
    2-hexanone 117.32
    octyl acetate 64.07
    limonene 53.86
    1,2-dimethoxyethane 397.44
    ethyl orthosilicate 50.84
    tributyl phosphate 54.6
    diacetone alcohol 155.07
    N,N-dimethylaniline 81.6
    acrylonitrile 266.19
    aniline 95.93
    1,3-propanediol 319.07
    bromobenzene 66.41
    dibromomethane 163.12
    1,1,2,2-tetrachloroethane 217.77
    2-methyl-cyclohexyl acetate 76.0
    tetrabutyl urea 79.64
    diisobutyl methanol 50.04
    2-phenylethanol 98.94
    styrene 47.05
    dioctyl adipate 79.8
    dimethyl sulfate 133.74
    ethyl butyrate 104.84
    methyl lactate 122.42
    butyl lactate 80.42
    diethyl carbonate 76.64
    propanediol butyl ether 161.54
    triethyl orthoformate 72.78
    p-tert-butyltoluene 34.83
    methyl 4-tert-butylbenzoate 97.54
    morpholine 362.65
    tert-butylamine 144.79
    n-dodecanol 37.84
    dimethoxymethane 281.59
    ethylene carbonate 118.78
    cyrene 127.81
    2-ethoxyethyl acetate 123.38
    2-ethylhexyl acetate 83.62
    1,2,4-trichlorobenzene 97.9
    4-methylpyridine 170.57
    dibutyl ether 76.15
    2,6-dimethyl-4-heptanol 50.04
    DEF 262.27
    dimethyl isosorbide 204.52
    tetrachloroethylene 172.49
    eugenol 119.5
    triacetin 129.79
    span 80 131.37
    1,4-butanediol 148.99
    1,1-dichloroethane 151.44
    2-methyl-1-pentanol 115.7
    methyl formate 307.42
    2-methyl-1-butanol 135.27
    n-decane 10.08
    butyronitrile 172.62
    3,7-dimethyl-1-octanol 75.58
    1-chlorooctane 40.68
    1-chlorotetradecane 19.06
    n-nonane 9.88
    undecane 8.18
    tert-butylcyclohexane 13.38
    cyclooctane 8.13
    cyclopentanol 149.89
    tetrahydropyran 207.6
    tert-amyl methyl ether 112.25
    2,5,8-trioxanonane 285.99
    1-hexene 48.68
    2-isopropoxyethanol 170.82
    2,2,2-trifluoroethanol 189.38
    methyl butyrate 144.87

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction